Product Name :
A-1331852
Description:
A-1331852 is an orally available BCL-XL selective inhibitor with a Ki of less than 10 pM.
CAS:
1430844-80-6
Molecular Weight:
658.81
Formula:
C38H38N6O3S
Chemical Name:
3-1-[(adamantan-1-yl)methyl]-5-methyl-1H-pyrazol-4-yl-6-8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-ylpyridine-2-carboxylic acid
Smiles :
CC1=C(C=NN1CC12CC3CC(C1)CC(C2)C3)C1=CC=C(N=C1C(O)=O)N1CC2C(=CC=CC=2CC1)C(=O)NC1=NC2=CC=CC=C2S1
InChiKey:
QCQQONWEDCOTBV-UHFFFAOYSA-N
InChi :
InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.Solanezumab custom synthesis
Shelf Life:
≥12 months if stored properly.TCEP manufacturer
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.PMID:31742468
Additional information:
A-1331852 is an orally available BCL-XL selective inhibitor with a Ki of less than 10 pM.|Product information|CAS Number: 1430844-80-6|Molecular Weight: 658.81|Formula: C38H38N6O3S|Chemical Name: 3-1-[(adamantan-1-yl)methyl]-5-methyl-1H-pyrazol-4-yl-6-8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-ylpyridine-2-carboxylic acid|Smiles: CC1=C(C=NN1CC12CC3CC(C1)CC(C2)C3)C1=CC=C(N=C1C(O)=O)N1CC2C(=CC=CC=2CC1)C(=O)NC1=NC2=CC=CC=C2S1|InChiKey: QCQQONWEDCOTBV-UHFFFAOYSA-N|InChi: InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : ≥ 50 mg/mL (75.89 mM).|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|A-1331852 selectively disrupts BCL-XL–BIM complexes and induces the hallmarks of apoptosis in BCL-XL–dependent Molt-4 cells with IC50s in the low nanomolar range but does not affect MEF cells lacking BAK or BAX. In CellTiter-Glo cell viability assay, A-1331852 inhibits NCI-H847, NCI-H1417, SET-2, HEL, OCI-M2 with EC50 values of 3, 7, 80, 120 and 100 nM.|In Vivo:|A-1331852 demonstrates antitumor efficacy in the Molt-4 xenograft model, inducing tumor regressions as a single agent. Additionally, A-1331852 combines with venetoclax to recapitulate the efficacy of navitoclax in the NCI-H1963.FP5 xenograft model of SCLC. A-1331852 significantly inhibits tumor growth in seven subcutaneous xenograft models of solid tumors, including breast cancer, NSCLC, and ovarian cancer.|Products are for research use only. Not for human use.|
